LAMMPS (5 May 2020)
newton          on
units           metal
lattice         sc 1.0
Lattice spacing in x,y,z = 1 1 1
boundary        p p fs
neighbor        1.0 bin
neigh_modify    every 5 delay 0 check yes

atom_style      mesont
#               cut, path, BendingMode, TPMType
pair_style      mesont/tpm 30.0 MESONT-TABTP_10_10.xrs 1 0
read_data       data.film
  orthogonal box = (-2500 -2500 -300) to (2500 2500 402.42)
  2 by 2 by 1 MPI processor grid
  reading atoms ...
  79596 atoms
  read_data CPU = 0.0704217 secs
pair_coeff      * *

velocity        all create 600.0 2019
timestep        0.01
fix             1 all nve
thermo          10
reset_timestep  0

compute         Es all mesont estretch
compute         Eb all mesont ebend
compute         Et all mesont etube
compute         B all property/atom buckling

thermo_style    custom step time temp etotal ke pe c_Es c_Eb c_Et
#dump            out_dump all custom 10 dump.film id type x y z c_Es c_Eb c_Et c_B ix iy iz

run             20
Neighbor list info ...
  update every 5 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 31
  ghost atom cutoff = 31
  binsize = 15.5, bins = 323 323 26
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair mesont/tpm, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 12.81 | 12.81 | 12.83 Mbytes
Step Time Temp TotEng KinEng PotEng c_Es c_Eb c_Et 
       0            0          600    1347.2158    6173.0767   -4825.8609    28.669574     21.29406   -4875.8245 
      10          0.1    389.40755    1373.7864    4006.4045   -2632.6181    848.00267    1404.4323    -4885.053 
      20          0.2    313.65714    1399.9427    3227.0494   -1827.1067    1201.1732    1882.1342   -4910.4141 
Loop time of 3.67186 on 4 procs for 20 steps with 79596 atoms

Performance: 4.706 ns/day, 5.100 hours/ns, 5.447 timesteps/s
95.8% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.7317     | 3.1286     | 3.6556     |  18.8 | 85.20
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0036943  | 0.53094    | 0.92822    |  45.8 | 14.46
Output  | 0.00026512 | 0.00035298 | 0.00055647 |   0.0 |  0.01
Modify  | 0.010463   | 0.010884   | 0.011153   |   0.3 |  0.30
Other   |            | 0.001109   |            |       |  0.03

Nlocal:    19899 ave 21951 max 18667 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Nghost:    970.75 ave 1031 max 920 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  160568 ave 181723 max 147382 min
Histogram: 1 0 2 0 0 0 0 0 0 1

Total # of neighbors = 642270
Ave neighs/atom = 8.06912
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:04
